(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine

C12H16N4 — CID 143046635

IUPAC(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine
SMILESCC/C(=C(\C)N)c1nc(C2=CC=CC2)n[nH]1
InChIInChI=1S/C12H16N4/c1-3-10(8(2)13)12-14-11(15-16-12)9-6-4-5-7-9/h4-6H,3,7,13H2,1-2H3,(H,14,15,16)/b10-8-
InChIKeyMQHCWNTZTFFNAX-NTMALXAHSA-N
MW216.29 g/mol
LogP2.25
Rot. Bonds3

About (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine

(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine (PubChem CID 143046635) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine
PubChem CID143046635
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine
SMILESCC/C(=C(\C)N)c1nc(C2=CC=CC2)n[nH]1
InChIInChI=1S/C12H16N4/c1-3-10(8(2)13)12-14-11(15-16-12)9-6-4-5-7-9/h4-6H,3,7,13H2,1-2H3,(H,14,15,16)/b10-8-
InChIKeyMQHCWNTZTFFNAX-NTMALXAHSA-N
XLogP2.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;ethene;(3E)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]penta-1,3-dien-2-amine
CID 167516506
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
N-(3,4-dihydropyridin-6-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,3-dien-1-amine
CID 68029945
3-cyclohexa-2,4-dien-1-yl-5-methyl-1H-1,2,4-triazole
CID 70331206
3-cyclohexa-2,4-dien-1-yl-5-ethyl-1H-1,2,4-triazole
CID 70334651
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-methyl-3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1H-1,2,4-triazole
CID 89611446
(8Z)-8-ethylidene-2,6,7-trimethyl-5-methylidene-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 91237336
5-cyclohexa-2,4-dien-1-yl-3-ethenyl-1H-1,2,4-triazole
CID 91505192
5-methyl-3-[(3E)-2-methylpenta-1,3-dien-3-yl]-1H-1,2,4-triazole
CID 117885874
3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole
CID 123155201

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine?
The IUPAC name of (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine (CID 143046635) is (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine?
The canonical SMILES for (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine is CC/C(=C(\C)N)c1nc(C2=CC=CC2)n[nH]1.
What is the InChIKey of (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine?
The InChIKey is MQHCWNTZTFFNAX-NTMALXAHSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-10(8(2)13)12-14-11(15-16-12)9-6-4-5-7-9/h4-6H,3,7,13H2,1-2H3,(H,14,15,16)/b10-8-.
What are the key properties of (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine?
(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine has a molecular weight of 216.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine is sourced from PubChem (CID 143046635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).