1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine

C13H18N6 — CID 139231916

IUPAC1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine
SMILESCN1CCN(Cc2cn(-c3cccnc3)nn2)CC1
InChIInChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)10-12-11-19(16-15-12)13-3-2-4-14-9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyYBFDLNWEEADIQY-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.41
Rot. Bonds3

About 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine

1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine (PubChem CID 139231916) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine
PubChem CID139231916
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine
SMILESCN1CCN(Cc2cn(-c3cccnc3)nn2)CC1
InChIInChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)10-12-11-19(16-15-12)13-3-2-4-14-9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyYBFDLNWEEADIQY-UHFFFAOYSA-N
XLogP0.41
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-chloroethyl)triazol-1-yl]pyridine
CID 107586784
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
(2R)-1-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95610792
2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
CID 107587095
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
CID 121198041
1-(cyclopropylmethyl)-4-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]piperidine
CID 154817894
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine (CID 139231916) is 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine is CN1CCN(Cc2cn(-c3cccnc3)nn2)CC1.
What is the InChIKey of 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine?
The InChIKey is YBFDLNWEEADIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-17-5-7-18(8-6-17)10-12-11-19(16-15-12)13-3-2-4-14-9-13/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine?
1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine has a molecular weight of 258.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 139231916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).