3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide

C21H24N10O — CID 90308763

IUPAC3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide
SMILESCn1ccc(-n2ccc3c(Nc4nc(NCC5(N)CCC5)nnc4C(N)=O)cccc32)n1
InChIInChI=1S/C21H24N10O/c1-30-10-7-16(29-30)31-11-6-13-14(4-2-5-15(13)31)25-19-17(18(22)32)27-28-20(26-19)24-12-21(23)8-3-9-21/h2,4-7,10-11H,3,8-9,12,23H2,1H3,(H2,22,32)(H2,24,25,26,28)
InChIKeyGUUVBLYUTQGURN-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.68
Rot. Bonds7

About 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide

3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide (PubChem CID 90308763) has the molecular formula C21H24N10O and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide
PubChem CID90308763
Molecular FormulaC21H24N10O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide
SMILESCn1ccc(-n2ccc3c(Nc4nc(NCC5(N)CCC5)nnc4C(N)=O)cccc32)n1
InChIInChI=1S/C21H24N10O/c1-30-10-7-16(29-30)31-11-6-13-14(4-2-5-15(13)31)25-19-17(18(22)32)27-28-20(26-19)24-12-21(23)8-3-9-21/h2,4-7,10-11H,3,8-9,12,23H2,1H3,(H2,22,32)(H2,24,25,26,28)
InChIKeyGUUVBLYUTQGURN-UHFFFAOYSA-N
XLogP1.68
TPSA154.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide (CID 90308763) is 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide is Cn1ccc(-n2ccc3c(Nc4nc(NCC5(N)CCC5)nnc4C(N)=O)cccc32)n1.
What is the InChIKey of 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is GUUVBLYUTQGURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N10O/c1-30-10-7-16(29-30)31-11-6-13-14(4-2-5-15(13)31)25-19-17(18(22)32)27-28-20(26-19)24-12-21(23)8-3-9-21/h2,4-7,10-11H,3,8-9,12,23H2,1H3,(H2,22,32)(H2,24,25,26,28).
What are the key properties of 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide?
3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 1.68, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclobutyl)methylamino]-5-[[1-(1-methylpyrazol-3-yl)indol-4-yl]amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 90308763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).