2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C15H23N7 — CID 50956374

IUPAC2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCc3nncn3C)n1)CCCC2
InChIInChI=1S/C15H23N7/c1-21(2)15-18-12-7-5-4-6-11(12)14(19-15)16-9-8-13-20-17-10-22(13)3/h10H,4-9H2,1-3H3,(H,16,18,19)
InChIKeyKVNFRKADPRPJHE-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.20
Rot. Bonds5

About 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 50956374) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID50956374
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCN(C)c1nc2c(c(NCCc3nncn3C)n1)CCCC2
InChIInChI=1S/C15H23N7/c1-21(2)15-18-12-7-5-4-6-11(12)14(19-15)16-9-8-13-20-17-10-22(13)3/h10H,4-9H2,1-3H3,(H,16,18,19)
InChIKeyKVNFRKADPRPJHE-UHFFFAOYSA-N
XLogP1.20
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 50956374) is 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CN(C)c1nc2c(c(NCCc3nncn3C)n1)CCCC2.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is KVNFRKADPRPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-21(2)15-18-12-7-5-4-6-11(12)14(19-15)16-9-8-13-20-17-10-22(13)3/h10H,4-9H2,1-3H3,(H,16,18,19).
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 301.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 50956374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).