(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine

C7H10N6 — CID 131111170

IUPAC(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCn1cnnc1C(N)c1cn[nH]c1
InChIInChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyOQVDERKHZBSNGA-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.41
Rot. Bonds2

About (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine

(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 131111170) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
PubChem CID131111170
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCn1cnnc1C(N)c1cn[nH]c1
InChIInChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10)
InChIKeyOQVDERKHZBSNGA-UHFFFAOYSA-N
XLogP-0.41
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236049
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
CID 130930410
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236060
(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
CID 131091311
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine (CID 131111170) is (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine is Cn1cnnc1C(N)c1cn[nH]c1.
What is the InChIKey of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is OQVDERKHZBSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-13-4-11-12-7(13)6(8)5-2-9-10-3-5/h2-4,6H,8H2,1H3,(H,9,10).
What are the key properties of (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine?
(4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 178.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,4-triazol-3-yl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 131111170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).