1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

C16H27N5 — CID 102793322

IUPAC1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(C3CCC4CCCCC4C3)n2)C1
InChIInChI=1S/C16H27N5/c17-14-7-8-21(10-14)16-18-15(19-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,17H2,(H,18,19,20)
InChIKeyGLWBWLQGPBESOR-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.42
Rot. Bonds2

About 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (PubChem CID 102793322) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
PubChem CID102793322
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(C3CCC4CCCCC4C3)n2)C1
InChIInChI=1S/C16H27N5/c17-14-7-8-21(10-14)16-18-15(19-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,17H2,(H,18,19,20)
InChIKeyGLWBWLQGPBESOR-UHFFFAOYSA-N
XLogP2.42
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine with MolForge

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Related Compounds

1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793360
1-[5-(1,1-dioxothian-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793327
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793222
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793159

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (CID 102793322) is 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is NC1CCN(c2n[nH]c(C3CCC4CCCCC4C3)n2)C1.
What is the InChIKey of 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The InChIKey is GLWBWLQGPBESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c17-14-7-8-21(10-14)16-18-15(19-20-16)13-6-5-11-3-1-2-4-12(11)9-13/h11-14H,1-10,17H2,(H,18,19,20).
What are the key properties of 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine has a molecular weight of 289.43 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 102793322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).