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

C13H18N6 — CID 62009694

IUPACN-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3ncn[nH]3)ncc21
InChIInChI=1S/C13H18N6/c1-2-6-14-10-4-3-5-11-9(10)7-15-12(18-11)13-16-8-17-19-13/h7-8,10,14H,2-6H2,1H3,(H,16,17,19)
InChIKeyIHXMEDZXEIOVDQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.64
Rot. Bonds4

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

N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009694) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009694
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(-c3ncn[nH]3)ncc21
InChIInChI=1S/C13H18N6/c1-2-6-14-10-4-3-5-11-9(10)7-15-12(18-11)13-16-8-17-19-13/h7-8,10,14H,2-6H2,1H3,(H,16,17,19)
InChIKeyIHXMEDZXEIOVDQ-UHFFFAOYSA-N
XLogP1.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009694) is N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(-c3ncn[nH]3)ncc21.
What is the InChIKey of N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is IHXMEDZXEIOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-6-14-10-4-3-5-11-9(10)7-15-12(18-11)13-16-8-17-19-13/h7-8,10,14H,2-6H2,1H3,(H,16,17,19).
What are the key properties of N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 258.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).