6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine

C19H18N6 — CID 133365485

IUPAC6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NC(C)c3cn(-c4ccccc4)nn3)c2c1
InChIInChI=1S/C19H18N6/c1-13-8-9-17-16(10-13)19(21-12-20-17)22-14(2)18-11-25(24-23-18)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyWUESFSOFJPDCKP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.69
Rot. Bonds4

About 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine

6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine (PubChem CID 133365485) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine
PubChem CID133365485
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NC(C)c3cn(-c4ccccc4)nn3)c2c1
InChIInChI=1S/C19H18N6/c1-13-8-9-17-16(10-13)19(21-12-20-17)22-14(2)18-11-25(24-23-18)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyWUESFSOFJPDCKP-UHFFFAOYSA-N
XLogP3.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365495
5-bromo-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
CID 133404438
6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133277823
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
3-[(1R)-1-[(6-methylquinazolin-4-yl)amino]ethyl]benzonitrile
CID 99812363
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133365280
4-methyl-5-nitro-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridin-2-amine
CID 133365275
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 164556578
4-(1-chloroethyl)-1-phenyltriazole
CID 71756176
2-chloro-4-[1-(1-phenyltriazol-4-yl)ethylamino]benzonitrile
CID 133365391

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine (CID 133365485) is 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine is Cc1ccc2ncnc(NC(C)c3cn(-c4ccccc4)nn3)c2c1.
What is the InChIKey of 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine?
The InChIKey is WUESFSOFJPDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-8-9-17-16(10-13)19(21-12-20-17)22-14(2)18-11-25(24-23-18)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22).
What are the key properties of 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine?
6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133365485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).