3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide

C20H24N8O2 — CID 89484701

IUPAC3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc2c1ccn2C1CC1
InChIInChI=1S/C20H24N8O2/c21-13-10-30-9-7-15(13)24-20-25-19(17(18(22)29)26-27-20)23-14-2-1-3-16-12(14)6-8-28(16)11-4-5-11/h1-3,6,8,11,13,15H,4-5,7,9-10,21H2,(H2,22,29)(H2,23,24,25,27)/t13-,15+/m0/s1
InChIKeyCSGWYPONEHTTTJ-DZGCQCFKSA-N
MW408.47 g/mol
LogP1.53
Rot. Bonds6

About 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide

3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 89484701) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID89484701
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc2c1ccn2C1CC1
InChIInChI=1S/C20H24N8O2/c21-13-10-30-9-7-15(13)24-20-25-19(17(18(22)29)26-27-20)23-14-2-1-3-16-12(14)6-8-28(16)11-4-5-11/h1-3,6,8,11,13,15H,4-5,7,9-10,21H2,(H2,22,29)(H2,23,24,25,27)/t13-,15+/m0/s1
InChIKeyCSGWYPONEHTTTJ-DZGCQCFKSA-N
XLogP1.53
TPSA146.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

CID 71543230
CID 71543230
Syk-IN-1
CID 72202597
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-4-ylamino)-1,2,4-triazine-6-carboxamide
CID 72202738
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162645658
5-[[4-[4-[[(3R,4R)-3-aminooxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162668309
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72202737
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylindazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72202739
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(2-methylindazol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72202740
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indazol-4-ylamino)-1,2,4-triazine-6-carboxamide
CID 72202872
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(5-fluoro-1H-indol-7-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72202873
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 71533723

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide (CID 89484701) is 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide is NC(=O)c1nnc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc2c1ccn2C1CC1.
What is the InChIKey of 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is CSGWYPONEHTTTJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H24N8O2/c21-13-10-30-9-7-15(13)24-20-25-19(17(18(22)29)26-27-20)23-14-2-1-3-16-12(14)6-8-28(16)11-4-5-11/h1-3,6,8,11,13,15H,4-5,7,9-10,21H2,(H2,22,29)(H2,23,24,25,27)/t13-,15+/m0/s1.
What are the key properties of 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide?
3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1-cyclopropylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 89484701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).