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

C10H18N8 — CID 155454691

IUPACN-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine
SMILESCNNCC(C)c1nnc(-c2ccn[nH]2)n1NC
InChIInChI=1S/C10H18N8/c1-7(6-14-11-2)9-16-17-10(18(9)12-3)8-4-5-13-15-8/h4-5,7,11-12,14H,6H2,1-3H3,(H,13,15)
InChIKeyRFXOTIDERMHPBW-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.33
Rot. Bonds6

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

N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine (PubChem CID 155454691) has the molecular formula C10H18N8 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine
PubChem CID155454691
Molecular FormulaC10H18N8
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine
SMILESCNNCC(C)c1nnc(-c2ccn[nH]2)n1NC
InChIInChI=1S/C10H18N8/c1-7(6-14-11-2)9-16-17-10(18(9)12-3)8-4-5-13-15-8/h4-5,7,11-12,14H,6H2,1-3H3,(H,13,15)
InChIKeyRFXOTIDERMHPBW-UHFFFAOYSA-N
XLogP-0.33
TPSA95.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine?
The IUPAC name of N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine (CID 155454691) is N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine is CNNCC(C)c1nnc(-c2ccn[nH]2)n1NC.
What is the InChIKey of N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine?
The InChIKey is RFXOTIDERMHPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8/c1-7(6-14-11-2)9-16-17-10(18(9)12-3)8-4-5-13-15-8/h4-5,7,11-12,14H,6H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine?
N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine has a molecular weight of 250.31 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(2-methylhydrazinyl)propan-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 155454691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).