1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine

C17H23N5 — CID 59216048

IUPAC1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCn1c(N2CCC(N)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N5/c1-21-15(17(9-10-17)13-5-3-2-4-6-13)19-20-16(21)22-11-7-14(18)8-12-22/h2-6,14H,7-12,18H2,1H3
InChIKeyOINGYQWXQBFSGY-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 59216048) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID59216048
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCn1c(N2CCC(N)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C17H23N5/c1-21-15(17(9-10-17)13-5-3-2-4-6-13)19-20-16(21)22-11-7-14(18)8-12-22/h2-6,14H,7-12,18H2,1H3
InChIKeyOINGYQWXQBFSGY-UHFFFAOYSA-N
XLogP1.82
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine (CID 59216048) is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine is Cn1c(N2CCC(N)CC2)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is OINGYQWXQBFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21-15(17(9-10-17)13-5-3-2-4-6-13)19-20-16(21)22-11-7-14(18)8-12-22/h2-6,14H,7-12,18H2,1H3.
What are the key properties of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 59216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).