1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C9H14N6 — CID 61003875

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1nncn1C
InChIInChI=1S/C9H14N6/c1-7-8(4-11-13-7)3-10-5-9-14-12-6-15(9)2/h4,6,10H,3,5H2,1-2H3,(H,11,13)
InChIKeyCHYIEMVVCHTASR-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.14
Rot. Bonds4

About 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 61003875) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID61003875
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1nncn1C
InChIInChI=1S/C9H14N6/c1-7-8(4-11-13-7)3-10-5-9-14-12-6-15(9)2/h4,6,10H,3,5H2,1-2H3,(H,11,13)
InChIKeyCHYIEMVVCHTASR-UHFFFAOYSA-N
XLogP0.14
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 61003875) is 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1[nH]ncc1CNCc1nncn1C.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is CHYIEMVVCHTASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-8(4-11-13-7)3-10-5-9-14-12-6-15(9)2/h4,6,10H,3,5H2,1-2H3,(H,11,13).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 61003875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).