[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C16H20N6O — CID 87052161

IUPAC[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H20N6O/c23-16(13-9-17-6-7-18-13)22-8-2-1-3-14(22)15-20-19-11-21(15)10-12-4-5-12/h6-7,9,11-12,14H,1-5,8,10H2
InChIKeyACISVJYCTXTNEU-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.85
Rot. Bonds4

About [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87052161) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87052161
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C16H20N6O/c23-16(13-9-17-6-7-18-13)22-8-2-1-3-14(22)15-20-19-11-21(15)10-12-4-5-12/h6-7,9,11-12,14H,1-5,8,10H2
InChIKeyACISVJYCTXTNEU-UHFFFAOYSA-N
XLogP1.85
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 87052161) is [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ACISVJYCTXTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(13-9-17-6-7-18-13)22-8-2-1-3-14(22)15-20-19-11-21(15)10-12-4-5-12/h6-7,9,11-12,14H,1-5,8,10H2.
What are the key properties of [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 312.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87052161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).