N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C12H16N6 — CID 113375092

IUPACN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1cn(CCNc2ncnc3c2CCCC3)nn1
InChIInChI=1S/C12H16N6/c1-2-4-11-10(3-1)12(15-9-14-11)13-5-7-18-8-6-16-17-18/h6,8-9H,1-5,7H2,(H,13,14,15)
InChIKeyKYHLDLKETGOPPE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.06
Rot. Bonds4

About N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 113375092) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID113375092
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1cn(CCNc2ncnc3c2CCCC3)nn1
InChIInChI=1S/C12H16N6/c1-2-4-11-10(3-1)12(15-9-14-11)13-5-7-18-8-6-16-17-18/h6,8-9H,1-5,7H2,(H,13,14,15)
InChIKeyKYHLDLKETGOPPE-UHFFFAOYSA-N
XLogP1.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133449388
N-[2-(2-ethylimidazol-1-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 146137881
N-[2-(triazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 113374878
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
6-chloro-5-nitro-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 113413154
2-hydroxy-1-[4-(2-pyrazol-1-ylethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 70755141
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
4-N-[2-(triazol-1-yl)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133449329
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554

Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 113375092) is N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is c1cn(CCNc2ncnc3c2CCCC3)nn1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KYHLDLKETGOPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-4-11-10(3-1)12(15-9-14-11)13-5-7-18-8-6-16-17-18/h6,8-9H,1-5,7H2,(H,13,14,15).
What are the key properties of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 113375092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).