3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine

C14H25N5 — CID 136837660

IUPAC3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
SMILESNCCCc1nc2n(n1)C(C1CCCCC1)CCN2
InChIInChI=1S/C14H25N5/c15-9-4-7-13-17-14-16-10-8-12(19(14)18-13)11-5-2-1-3-6-11/h11-12H,1-10,15H2,(H,16,17,18)
InChIKeyKHAKPQJGRUOEMY-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.11
Rot. Bonds4

About 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine

3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine (PubChem CID 136837660) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
PubChem CID136837660
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
SMILESNCCCc1nc2n(n1)C(C1CCCCC1)CCN2
InChIInChI=1S/C14H25N5/c15-9-4-7-13-17-14-16-10-8-12(19(14)18-13)11-5-2-1-3-6-11/h11-12H,1-10,15H2,(H,16,17,18)
InChIKeyKHAKPQJGRUOEMY-UHFFFAOYSA-N
XLogP2.11
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
The IUPAC name of 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine (CID 136837660) is 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine is NCCCc1nc2n(n1)C(C1CCCCC1)CCN2.
What is the InChIKey of 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
The InChIKey is KHAKPQJGRUOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c15-9-4-7-13-17-14-16-10-8-12(19(14)18-13)11-5-2-1-3-6-11/h11-12H,1-10,15H2,(H,16,17,18).
What are the key properties of 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine?
3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 136837660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).