N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C11H14N6 — CID 55045249

IUPACN-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ncn[nH]2)nc2c1CCCC2
InChIInChI=1S/C11H14N6/c1-12-9-7-4-2-3-5-8(7)15-11(16-9)10-13-6-14-17-10/h6H,2-5H2,1H3,(H,12,15,16)(H,13,14,17)
InChIKeyHXMHHEHHTMITPU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.18
Rot. Bonds2

About N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 55045249) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID55045249
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC NameN-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ncn[nH]2)nc2c1CCCC2
InChIInChI=1S/C11H14N6/c1-12-9-7-4-2-3-5-8(7)15-11(16-9)10-13-6-14-17-10/h6H,2-5H2,1H3,(H,12,15,16)(H,13,14,17)
InChIKeyHXMHHEHHTMITPU-UHFFFAOYSA-N
XLogP1.18
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 55045249) is N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2ncn[nH]2)nc2c1CCCC2.
What is the InChIKey of N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HXMHHEHHTMITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-12-9-7-4-2-3-5-8(7)15-11(16-9)10-13-6-14-17-10/h6H,2-5H2,1H3,(H,12,15,16)(H,13,14,17).
What are the key properties of N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 230.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 55045249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).