2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine

C14H17N7 — CID 80798310

IUPAC2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
SMILESCCNc1nc(NCc2nncn2C)c2ccccc2n1
InChIInChI=1S/C14H17N7/c1-3-15-14-18-11-7-5-4-6-10(11)13(19-14)16-8-12-20-17-9-21(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18,19)
InChIKeyDKURXSSSOLOOKH-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.80
Rot. Bonds5

About 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine

2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine (PubChem CID 80798310) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
PubChem CID80798310
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine
SMILESCCNc1nc(NCc2nncn2C)c2ccccc2n1
InChIInChI=1S/C14H17N7/c1-3-15-14-18-11-7-5-4-6-10(11)13(19-14)16-8-12-20-17-9-21(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18,19)
InChIKeyDKURXSSSOLOOKH-UHFFFAOYSA-N
XLogP1.80
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80822122
2-N-ethyl-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 80776181
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
CID 80769963
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]quinazoline-2,4-diamine
CID 80839993
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine (CID 80798310) is 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine is CCNc1nc(NCc2nncn2C)c2ccccc2n1.
What is the InChIKey of 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is DKURXSSSOLOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-3-15-14-18-11-7-5-4-6-10(11)13(19-14)16-8-12-20-17-9-21(12)2/h4-7,9H,3,8H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine?
2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80798310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).