1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide

C18H26N8O — CID 56901768

IUPAC1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3CCCN(c4ncccn4)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c19-13-4-6-15(7-5-13)26-12-16(23-24-26)17(27)22-14-3-1-10-25(11-14)18-20-8-2-9-21-18/h2,8-9,12-15H,1,3-7,10-11,19H2,(H,22,27)
InChIKeyRTBQIKBDKIPWGX-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.91
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide (PubChem CID 56901768) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide
PubChem CID56901768
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC3CCCN(c4ncccn4)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c19-13-4-6-15(7-5-13)26-12-16(23-24-26)17(27)22-14-3-1-10-25(11-14)18-20-8-2-9-21-18/h2,8-9,12-15H,1,3-7,10-11,19H2,(H,22,27)
InChIKeyRTBQIKBDKIPWGX-UHFFFAOYSA-N
XLogP0.91
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide (CID 56901768) is 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide is NC1CCC(n2cc(C(=O)NC3CCCN(c4ncccn4)C3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is RTBQIKBDKIPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c19-13-4-6-15(7-5-13)26-12-16(23-24-26)17(27)22-14-3-1-10-25(11-14)18-20-8-2-9-21-18/h2,8-9,12-15H,1,3-7,10-11,19H2,(H,22,27).
What are the key properties of 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 56901768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).