N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C12H16N6 — CID 113231446

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCn1cnnc1CNc1ncnc2c1CCC2
InChIInChI=1S/C12H16N6/c1-2-18-8-16-17-11(18)6-13-12-9-4-3-5-10(9)14-7-15-12/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyYDUSTUHUZDGDSW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.19
Rot. Bonds4

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 113231446) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID113231446
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCn1cnnc1CNc1ncnc2c1CCC2
InChIInChI=1S/C12H16N6/c1-2-18-8-16-17-11(18)6-13-12-9-4-3-5-10(9)14-7-15-12/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyYDUSTUHUZDGDSW-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 113231446) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCn1cnnc1CNc1ncnc2c1CCC2.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is YDUSTUHUZDGDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-18-8-16-17-11(18)6-13-12-9-4-3-5-10(9)14-7-15-12/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 113231446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).