N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide

C12H19N5O — CID 86820534

IUPACN-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1nc([C@H]2CCNC[C@H]2NC(=O)C2CC2)n[nH]1
InChIInChI=1S/C12H19N5O/c1-7-14-11(17-16-7)9-4-5-13-6-10(9)15-12(18)8-2-3-8/h8-10,13H,2-6H2,1H3,(H,15,18)(H,14,16,17)/t9-,10+/m0/s1
InChIKeyDZRSJCXSJNDXTQ-VHSXEESVSA-N
MW249.32 g/mol
LogP0.08
Rot. Bonds3

About N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 86820534) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID86820534
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1nc([C@H]2CCNC[C@H]2NC(=O)C2CC2)n[nH]1
InChIInChI=1S/C12H19N5O/c1-7-14-11(17-16-7)9-4-5-13-6-10(9)15-12(18)8-2-3-8/h8-10,13H,2-6H2,1H3,(H,15,18)(H,14,16,17)/t9-,10+/m0/s1
InChIKeyDZRSJCXSJNDXTQ-VHSXEESVSA-N
XLogP0.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 86820534) is N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide is Cc1nc([C@H]2CCNC[C@H]2NC(=O)C2CC2)n[nH]1.
What is the InChIKey of N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DZRSJCXSJNDXTQ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-14-11(17-16-7)9-4-5-13-6-10(9)15-12(18)8-2-3-8/h8-10,13H,2-6H2,1H3,(H,15,18)(H,14,16,17)/t9-,10+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 86820534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).