N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

C10H16N6 — CID 115682264

IUPACN-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCn1nncc1CNCCCn1cccn1
InChIInChI=1S/C10H16N6/c1-15-10(9-12-14-15)8-11-4-2-6-16-7-3-5-13-16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyVZNOACSDWJBWQJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.19
Rot. Bonds6

About N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115682264) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115682264
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCn1nncc1CNCCCn1cccn1
InChIInChI=1S/C10H16N6/c1-15-10(9-12-14-15)8-11-4-2-6-16-7-3-5-13-16/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyVZNOACSDWJBWQJ-UHFFFAOYSA-N
XLogP0.19
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 115682527
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592018
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115593187
2-[3,5-dimethyl-4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 110905622

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (CID 115682264) is N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is Cn1nncc1CNCCCn1cccn1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is VZNOACSDWJBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-15-10(9-12-14-15)8-11-4-2-6-16-7-3-5-13-16/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).