(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone

C10H17N5O — CID 78967996

IUPAC(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H17N5O/c1-8(2)14-3-5-15(6-4-14)10(16)9-7-11-13-12-9/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGYAHXGPVJUNECF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.03
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 78967996) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID78967996
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C10H17N5O/c1-8(2)14-3-5-15(6-4-14)10(16)9-7-11-13-12-9/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGYAHXGPVJUNECF-UHFFFAOYSA-N
XLogP-0.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone (CID 78967996) is (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone is CC(C)N1CCN(C(=O)c2cn[nH]n2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is GYAHXGPVJUNECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(2)14-3-5-15(6-4-14)10(16)9-7-11-13-12-9/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 78967996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).