3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine

C14H17N5 — CID 154762587

IUPAC3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C14H17N5/c15-12-11(2-1-7-16-12)8-19-14(10-5-6-10)17-13(18-19)9-3-4-9/h1-2,7,9-10H,3-6,8H2,(H2,15,16)
InChIKeyDZPOMTUTPURXNI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.06
Rot. Bonds4

About 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine

3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine (PubChem CID 154762587) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
PubChem CID154762587
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C14H17N5/c15-12-11(2-1-7-16-12)8-19-14(10-5-6-10)17-13(18-19)9-3-4-9/h1-2,7,9-10H,3-6,8H2,(H2,15,16)
InChIKeyDZPOMTUTPURXNI-UHFFFAOYSA-N
XLogP2.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine (CID 154762587) is 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine is Nc1ncccc1Cn1nc(C2CC2)nc1C1CC1.
What is the InChIKey of 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is DZPOMTUTPURXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-12-11(2-1-7-16-12)8-19-14(10-5-6-10)17-13(18-19)9-3-4-9/h1-2,7,9-10H,3-6,8H2,(H2,15,16).
What are the key properties of 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine?
3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dicyclopropyl-1,2,4-triazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 154762587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).