2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine

C13H19N5 — CID 80916847

IUPAC2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
SMILESCC(C)C(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5/c1-8(2)9(3)15-12-10-6-4-5-7-11(10)16-13(17-12)18-14/h4-9H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPBMOOTCVRGXEKP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds4

About 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine

2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine (PubChem CID 80916847) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
PubChem CID80916847
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
SMILESCC(C)C(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C13H19N5/c1-8(2)9(3)15-12-10-6-4-5-7-11(10)16-13(17-12)18-14/h4-9H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyPBMOOTCVRGXEKP-UHFFFAOYSA-N
XLogP2.37
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
CID 80915950
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine (CID 80916847) is 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine is CC(C)C(C)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine?
The InChIKey is PBMOOTCVRGXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8(2)9(3)15-12-10-6-4-5-7-11(10)16-13(17-12)18-14/h4-9H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine?
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 80916847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).