2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine

C13H15N7 — CID 80913958

IUPAC2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESCn1nccc1CNc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H15N7/c1-20-9(6-7-16-20)8-15-12-10-4-2-3-5-11(10)17-13(18-12)19-14/h2-7H,8,14H2,1H3,(H2,15,17,18,19)
InChIKeyBXGZAWVOLRXNHK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.26
Rot. Bonds4

About 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine

2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine (PubChem CID 80913958) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
PubChem CID80913958
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESCn1nccc1CNc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H15N7/c1-20-9(6-7-16-20)8-15-12-10-4-2-3-5-11(10)17-13(18-12)19-14/h2-7H,8,14H2,1H3,(H2,15,17,18,19)
InChIKeyBXGZAWVOLRXNHK-UHFFFAOYSA-N
XLogP1.26
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80912063
3-chloro-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 154877995
2-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]quinazolin-4-amine
CID 114702353
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
2-hydrazinyl-N-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 83027800
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
4-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80906477
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine (CID 80913958) is 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine is Cn1nccc1CNc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine?
The InChIKey is BXGZAWVOLRXNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-20-9(6-7-16-20)8-15-12-10-4-2-3-5-11(10)17-13(18-12)19-14/h2-7H,8,14H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine?
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 80913958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).