(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine

C15H24N4 — CID 124845430

IUPAC(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC[C@H](Cn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C15H24N4/c1-10(7-19-9-16-8-17-19)18-15-6-11-5-14(15)13-4-2-3-12(11)13/h8-15,18H,2-7H2,1H3/t10-,11-,12-,13+,14+,15-/m1/s1
InChIKeyMIJXVSULAXYUMA-PMXAPFLYSA-N
MW260.38 g/mol
LogP2.08
Rot. Bonds4

About (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine

(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 124845430) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound Name(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID124845430
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESC[C@H](Cn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C15H24N4/c1-10(7-19-9-16-8-17-19)18-15-6-11-5-14(15)13-4-2-3-12(11)13/h8-15,18H,2-7H2,1H3/t10-,11-,12-,13+,14+,15-/m1/s1
InChIKeyMIJXVSULAXYUMA-PMXAPFLYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine with MolForge

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Related Compounds

2-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]cyclopentan-1-amine
CID 115714390
2-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]cyclopropan-1-amine
CID 115716745
1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124829821
3-(4-fluorophenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
CID 99618678
3-(4-fluorophenyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclobutan-1-amine
CID 99618679
4-methoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 115714418
N-[(1R)-1-pyridin-3-ylethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81407323
3-(ethylamino)-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 62839360
(2R)-2-(8-tricyclo[5.2.1.02,6]decanylamino)butan-1-ol
CID 103922588
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
CID 64809235
(1R)-7-bromo-4-fluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 97073001

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine (CID 124845430) is (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine is C[C@H](Cn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is MIJXVSULAXYUMA-PMXAPFLYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(7-19-9-16-8-17-19)18-15-6-11-5-14(15)13-4-2-3-12(11)13/h8-15,18H,2-7H2,1H3/t10-,11-,12-,13+,14+,15-/m1/s1.
What are the key properties of (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine?
(1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 260.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,8R)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 124845430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).