2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine

C16H21N7 — CID 95120809

IUPAC2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
SMILESCCn1ncnc1[C@@H](C)Nc1nc(CCN)nc2ccccc12
InChIInChI=1S/C16H21N7/c1-3-23-16(18-10-19-23)11(2)20-15-12-6-4-5-7-13(12)21-14(22-15)8-9-17/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyHGRRWKMZMOAMOO-LLVKDONJSA-N
MW311.39 g/mol
LogP1.92
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 95120809) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
PubChem CID95120809
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
SMILESCCn1ncnc1[C@@H](C)Nc1nc(CCN)nc2ccccc12
InChIInChI=1S/C16H21N7/c1-3-23-16(18-10-19-23)11(2)20-15-12-6-4-5-7-13(12)21-14(22-15)8-9-17/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,20,21,22)/t11-/m1/s1
InChIKeyHGRRWKMZMOAMOO-LLVKDONJSA-N
XLogP1.92
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine
CID 95144128
2-(2-aminoethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)quinazolin-4-amine
CID 50980828
2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
CID 50958621
2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
CID 95135430
2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
CID 50981823
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
CID 50976321
6-tert-butyl-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95726265
(2S)-2-[[2-[2-(dimethylazaniumyl)ethyl]quinazolin-4-yl]amino]propanoate
CID 6985470
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
CID 50967665
2-(chloromethyl)-N-propan-2-ylquinazolin-4-amine
CID 68909958
2-(2-aminoethyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-amine
CID 50971267

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine (CID 95120809) is 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine is CCn1ncnc1[C@@H](C)Nc1nc(CCN)nc2ccccc12.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is HGRRWKMZMOAMOO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N7/c1-3-23-16(18-10-19-23)11(2)20-15-12-6-4-5-7-13(12)21-14(22-15)8-9-17/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,20,21,22)/t11-/m1/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 311.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 95120809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).