N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C18H18N8 — CID 134356629

IUPACN-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2nccn3nc(Nc4ccc(C5(N)CC5)cc4)nc23)cn1
InChIInChI=1S/C18H18N8/c1-25-11-12(10-21-25)15-16-23-17(24-26(16)9-8-20-15)22-14-4-2-13(3-5-14)18(19)6-7-18/h2-5,8-11H,6-7,19H2,1H3,(H,22,24)
InChIKeyVBDHCXBKQFAJCT-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.22
Rot. Bonds4

About N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 134356629) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID134356629
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2nccn3nc(Nc4ccc(C5(N)CC5)cc4)nc23)cn1
InChIInChI=1S/C18H18N8/c1-25-11-12(10-21-25)15-16-23-17(24-26(16)9-8-20-15)22-14-4-2-13(3-5-14)18(19)6-7-18/h2-5,8-11H,6-7,19H2,1H3,(H,22,24)
InChIKeyVBDHCXBKQFAJCT-UHFFFAOYSA-N
XLogP2.22
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 134356629) is N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cn1cc(-c2nccn3nc(Nc4ccc(C5(N)CC5)cc4)nc23)cn1.
What is the InChIKey of N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is VBDHCXBKQFAJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-25-11-12(10-21-25)15-16-23-17(24-26(16)9-8-20-15)22-14-4-2-13(3-5-14)18(19)6-7-18/h2-5,8-11H,6-7,19H2,1H3,(H,22,24).
What are the key properties of N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 346.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminocyclopropyl)phenyl]-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 134356629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).