2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

C15H23N5O — CID 171735379

IUPAC2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cccc1CNCC1CC(c2nncn2C)CC1O
InChIInChI=1S/C15H23N5O/c1-19-5-3-4-13(19)9-16-8-12-6-11(7-14(12)21)15-18-17-10-20(15)2/h3-5,10-12,14,16,21H,6-9H2,1-2H3
InChIKeyDUBJBDBVUQMMDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.80
Rot. Bonds5

About 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (PubChem CID 171735379) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
PubChem CID171735379
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cccc1CNCC1CC(c2nncn2C)CC1O
InChIInChI=1S/C15H23N5O/c1-19-5-3-4-13(19)9-16-8-12-6-11(7-14(12)21)15-18-17-10-20(15)2/h3-5,10-12,14,16,21H,6-9H2,1-2H3
InChIKeyDUBJBDBVUQMMDU-UHFFFAOYSA-N
XLogP0.80
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The IUPAC name of 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (CID 171735379) is 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is Cn1cccc1CNCC1CC(c2nncn2C)CC1O.
What is the InChIKey of 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The InChIKey is DUBJBDBVUQMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-5-3-4-13(19)9-16-8-12-6-11(7-14(12)21)15-18-17-10-20(15)2/h3-5,10-12,14,16,21H,6-9H2,1-2H3.
What are the key properties of 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrrol-2-yl)methylamino]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 171735379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).