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

C14H25N5 — CID 136837693

IUPAC4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CCNc2nc(C3CCC(N)CC3)nn21
InChIInChI=1S/C14H25N5/c1-9(2)12-7-8-16-14-17-13(18-19(12)14)10-3-5-11(15)6-4-10/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyFKBDSGHHSVVXGO-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.28
Rot. Bonds2

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

4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine (PubChem CID 136837693) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
PubChem CID136837693
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CCNc2nc(C3CCC(N)CC3)nn21
InChIInChI=1S/C14H25N5/c1-9(2)12-7-8-16-14-17-13(18-19(12)14)10-3-5-11(15)6-4-10/h9-12H,3-8,15H2,1-2H3,(H,16,17,18)
InChIKeyFKBDSGHHSVVXGO-UHFFFAOYSA-N
XLogP2.28
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine (CID 136837693) is 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine is CC(C)C1CCNc2nc(C3CCC(N)CC3)nn21.
What is the InChIKey of 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine?
The InChIKey is FKBDSGHHSVVXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9(2)12-7-8-16-14-17-13(18-19(12)14)10-3-5-11(15)6-4-10/h9-12H,3-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine?
4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine has a molecular weight of 263.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 136837693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).