1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

C14H21N5 — CID 72881751

IUPAC1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCCCCn1nc(-c2ccncc2)nc1CN(C)C
InChIInChI=1S/C14H21N5/c1-4-5-10-19-13(11-18(2)3)16-14(17-19)12-6-8-15-9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOGQUHCKWPNHFSA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (PubChem CID 72881751) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
PubChem CID72881751
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCCCCn1nc(-c2ccncc2)nc1CN(C)C
InChIInChI=1S/C14H21N5/c1-4-5-10-19-13(11-18(2)3)16-14(17-19)12-6-8-15-9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyOGQUHCKWPNHFSA-UHFFFAOYSA-N
XLogP2.20
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (CID 72881751) is 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is CCCCn1nc(-c2ccncc2)nc1CN(C)C.
What is the InChIKey of 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is OGQUHCKWPNHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-5-10-19-13(11-18(2)3)16-14(17-19)12-6-8-15-9-7-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 72881751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).