1-(1-adamantyl)-1,2,4-triazol-3-amine

C12H18N4 — CID 2841020

IUPAC1-(1-adamantyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C12H18N4/c13-11-14-7-16(15-11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H2,13,15)
InChIKeyYMUZHJQHCKDJGP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds1

About 1-(1-adamantyl)-1,2,4-triazol-3-amine

1-(1-adamantyl)-1,2,4-triazol-3-amine (PubChem CID 2841020) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1-adamantyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-1,2,4-triazol-3-amine
PubChem CID2841020
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(1-adamantyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C12H18N4/c13-11-14-7-16(15-11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H2,13,15)
InChIKeyYMUZHJQHCKDJGP-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1-adamantyl)-1,2,4-triazol-3-amine (CID 2841020) is 1-(1-adamantyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1-adamantyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1-adamantyl)-1,2,4-triazol-3-amine is Nc1ncn(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 1-(1-adamantyl)-1,2,4-triazol-3-amine?
The InChIKey is YMUZHJQHCKDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c13-11-14-7-16(15-11)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H2,13,15).
What are the key properties of 1-(1-adamantyl)-1,2,4-triazol-3-amine?
1-(1-adamantyl)-1,2,4-triazol-3-amine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 2841020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).